[3-[methyl(trimethylsilyloxy)silyl]-5-(7-oxabicyclo[4.1.0]heptan-3-yl)pentyl] 2-methylprop-2-enoate

C19H36O4Si2 — CID 123624034

IUPAC[3-[methyl(trimethylsilyloxy)silyl]-5-(7-oxabicyclo[4.1.0]heptan-3-yl)pentyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(CCC1CCC2OC2C1)[SiH](C)O[Si](C)(C)C
InChIInChI=1S/C19H36O4Si2/c1-14(2)19(20)21-12-11-16(24(3)23-25(4,5)6)9-7-15-8-10-17-18(13-15)22-17/h15-18,24H,1,7-13H2,2-6H3
InChIKeyFDJWPSZBRXSWLB-UHFFFAOYSA-N
MW384.67 g/mol
LogP4.42
Rot. Bonds10

About [3-[methyl(trimethylsilyloxy)silyl]-5-(7-oxabicyclo[4.1.0]heptan-3-yl)pentyl] 2-methylprop-2-enoate

[3-[methyl(trimethylsilyloxy)silyl]-5-(7-oxabicyclo[4.1.0]heptan-3-yl)pentyl] 2-methylprop-2-enoate (PubChem CID 123624034) has the molecular formula C19H36O4Si2 and a molecular weight of 384.67 g/mol. Its IUPAC name is [3-[methyl(trimethylsilyloxy)silyl]-5-(7-oxabicyclo[4.1.0]heptan-3-yl)pentyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-[methyl(trimethylsilyloxy)silyl]-5-(7-oxabicyclo[4.1.0]heptan-3-yl)pentyl] 2-methylprop-2-enoate
PubChem CID123624034
Molecular FormulaC19H36O4Si2
Molecular Weight384.67 g/mol
Exact Mass384.22
IUPAC Name[3-[methyl(trimethylsilyloxy)silyl]-5-(7-oxabicyclo[4.1.0]heptan-3-yl)pentyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(CCC1CCC2OC2C1)[SiH](C)O[Si](C)(C)C
InChIInChI=1S/C19H36O4Si2/c1-14(2)19(20)21-12-11-16(24(3)23-25(4,5)6)9-7-15-8-10-17-18(13-15)22-17/h15-18,24H,1,7-13H2,2-6H3
InChIKeyFDJWPSZBRXSWLB-UHFFFAOYSA-N
XLogP4.42
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.67
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

6-(7-oxabicyclo[4.1.0]heptan-3-yl)hexyl 2-methylprop-2-enoate
CID 87233020
[4-(3,4-dihydroxycyclohexyl)-1-(7-oxabicyclo[4.1.0]heptan-3-yl)butan-2-yl] 2-methylprop-2-enoate
CID 91180254
7-oxabicyclo[4.1.0]heptan-3-ylmethyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 159462145
7-oxabicyclo[4.1.0]heptan-3-ylmethyl 2-methylprop-2-enoate;7-oxabicyclo[4.1.0]heptan-3-ylmethyl prop-2-enoate
CID 160642606
ethyl 2-methylidene-4-(7-oxabicyclo[4.1.0]heptan-3-yl)butanoate
CID 177481429
bis[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl] hexanedioate
CID 142748785
2-methoxy-4-(7-oxabicyclo[4.1.0]heptan-3-yl)butan-1-ol
CID 174911718
trimethyl-[4-(7-oxabicyclo[4.1.0]heptan-3-yl)butoxy]silane
CID 141284988
2-[4-(acetyloxymethyl)cyclohexyl]ethyl 2-methylprop-2-enoate
CID 139896785
2-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)ethyl acetate
CID 59735622
3-(3-methylpentyl)-7-oxabicyclo[4.1.0]heptane
CID 129014317
7-oxabicyclo[4.1.0]heptan-3-ylmethyl 3-(7-oxabicyclo[4.1.0]heptan-3-yl)propanoate
CID 59936733

Frequently Asked Questions

What is the IUPAC name of [3-[methyl(trimethylsilyloxy)silyl]-5-(7-oxabicyclo[4.1.0]heptan-3-yl)pentyl] 2-methylprop-2-enoate?
The IUPAC name of [3-[methyl(trimethylsilyloxy)silyl]-5-(7-oxabicyclo[4.1.0]heptan-3-yl)pentyl] 2-methylprop-2-enoate (CID 123624034) is [3-[methyl(trimethylsilyloxy)silyl]-5-(7-oxabicyclo[4.1.0]heptan-3-yl)pentyl] 2-methylprop-2-enoate.
What is the SMILES notation for [3-[methyl(trimethylsilyloxy)silyl]-5-(7-oxabicyclo[4.1.0]heptan-3-yl)pentyl] 2-methylprop-2-enoate?
The canonical SMILES for [3-[methyl(trimethylsilyloxy)silyl]-5-(7-oxabicyclo[4.1.0]heptan-3-yl)pentyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCCC(CCC1CCC2OC2C1)[SiH](C)O[Si](C)(C)C.
What is the InChIKey of [3-[methyl(trimethylsilyloxy)silyl]-5-(7-oxabicyclo[4.1.0]heptan-3-yl)pentyl] 2-methylprop-2-enoate?
The InChIKey is FDJWPSZBRXSWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O4Si2/c1-14(2)19(20)21-12-11-16(24(3)23-25(4,5)6)9-7-15-8-10-17-18(13-15)22-17/h15-18,24H,1,7-13H2,2-6H3.
What are the key properties of [3-[methyl(trimethylsilyloxy)silyl]-5-(7-oxabicyclo[4.1.0]heptan-3-yl)pentyl] 2-methylprop-2-enoate?
[3-[methyl(trimethylsilyloxy)silyl]-5-(7-oxabicyclo[4.1.0]heptan-3-yl)pentyl] 2-methylprop-2-enoate has a molecular weight of 384.67 g/mol, XLogP of 4.42, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[methyl(trimethylsilyloxy)silyl]-5-(7-oxabicyclo[4.1.0]heptan-3-yl)pentyl] 2-methylprop-2-enoate is sourced from PubChem (CID 123624034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).